1JYR

Xray Structure of Grb2 SH2 Domain Complexed with a Phosphorylated Peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X31
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X31
Temperature [K]	290
Collection date	1999-06-21
Wavelength(s)	1.057
Spacegroup name	P 41 21 2
Unit cell lengths	50.800, 50.800, 89.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.550
R-factor	0.19 *
Rwork	0.190
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.035
RMSD bond angle	25.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
High resolution limit [Å]	1.550
Rmerge	0.052 *	0.370 *
Total number of observations	155449 *
Number of reflections	17213 *
Completeness [%]	99.7	99.3 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	6	291	ammonium phosphate, PEG400, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	ammonium phosphate	2 (M)
2	1	1	PEG400	4 (%(w/v))
3	1	1	sodium cacodylate	50 (mM)	pH6.0
4	1	1	protein	46 (mg/ml)
5	1	1	TFA	0.1 (%(v/v))	in water